| File |
Last Change
|
|---|---|
 ../
|
|
dynamicProps/
|
3476 (15 years ago) by gezelter: missing energyConvert in kinetic energy |
|
staticProps/
|
3463 (15 years ago) by chuckv: Returned old LD forces to SMIPDForceManager. |
|
dump2Xyz/
|
3460 (15 years ago) by cli2: Fixes for Inversions for use with Amber |
|
utilities/
|
3450 (16 years ago) by chuckv: Added large quantities of code for convex hull and constant pressure langevin dynamics. |
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atom2md/
|
3446 (16 years ago) by cli2: Inversion fixes and amber mostly working |
|
oopse/
|
3446 (16 years ago) by cli2: Inversion fixes and amber mostly working |
|
hydrodynamics/
|
3319 (16 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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thermalizer/
|
3059 (17 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
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nanoparticleBuilder/
|
3053 (17 years ago) by gezelter: bug fixes for vacancies |
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randomBuilder/
|
3053 (17 years ago) by gezelter: bug fixes for vacancies |
|
simpleBuilder/
|
3041 (17 years ago) by gezelter: fixing missing lattice arguments, adding a builder sample |